HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=940",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=938",
"results": [
{
"id": "jvasp-55197",
"created_at": "2022-09-04T14:38:31.532043Z",
"updated_at": "2022-09-04T14:38:31.532072Z",
"structure_string": "Ti1 Ni1 Sb1\n1.0\n3.772333 -0.000000 2.177958\n1.257444 3.556590 2.177958\n-0.000000 -0.000000 4.355915\nTi Ni Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250001 Ti\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500000 0.500001 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Ti",
"density": 6.487398734562235,
"density_atomic": 0.051333163868774845,
"volume": 58.441751372836244,
"volume_molar": 11.73148176760477,
"formula_full": "Ti1 Ni1 Sb1",
"formula_reduced": "TiNiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8953689444444444,
"spacegroup": 216
},
{
"id": "jvasp-116153",
"created_at": "2022-09-04T14:38:30.453026Z",
"updated_at": "2022-09-04T14:38:30.453057Z",
"structure_string": "Mg1 H1 N1\n1.0\n-0.000000 2.358827 2.358827\n2.358827 0.000000 2.358827\n2.358827 2.358827 0.000000\nMg H N\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"N"
],
"chemical_system": "H-Mg-N",
"density": 2.4873698395392694,
"density_atomic": 0.11428861989372702,
"volume": 26.249332635126706,
"volume_molar": 5.269239199493159,
"formula_full": "Mg1 H1 N1",
"formula_reduced": "MgHN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0708974333333328,
"spacegroup": 216
},
{
"id": "jvasp-119311",
"created_at": "2022-09-04T14:38:30.222356Z",
"updated_at": "2022-09-04T14:38:30.222379Z",
"structure_string": "Ba1 Y1 Fe4 O7\n1.0\n5.515790 -0.000000 3.184543\n1.838597 5.200336 3.184543\n-0.000000 -0.000000 6.369085\nBa Y Fe O\n1 1 4 7\ndirect\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Y\n0.379515 0.379515 0.861457 Fe\n0.379515 0.861457 0.379514 Fe\n0.861457 0.379515 0.379514 Fe\n0.379515 0.379515 0.379514 Fe\n0.751055 0.751056 0.248944 O\n0.248945 0.751056 0.248944 O\n0.751055 0.248945 0.248945 O\n0.248945 0.248945 0.751055 O\n0.751055 0.248945 0.751055 O\n0.248945 0.751056 0.751055 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Y",
"density": 5.104658730654081,
"density_atomic": 0.07115856467648922,
"volume": 182.69058769105834,
"volume_molar": 8.46298795848213,
"formula_full": "Ba1 Y1 Fe4 O7",
"formula_reduced": "BaYFe4O7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 2.992149070769231,
"spacegroup": 216
},
{
"id": "jvasp-16731",
"created_at": "2022-09-04T14:38:30.332609Z",
"updated_at": "2022-09-04T14:38:30.332631Z",
"structure_string": "Li2 Sn1 Ge1\n1.0\n4.215172 0.000000 2.433631\n1.405057 3.974102 2.433631\n-0.000000 -0.000000 4.867260\nLi Sn Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Ge"
],
"chemical_system": "Ge-Li-Sn",
"density": 4.179798237384749,
"density_atomic": 0.04905927602445921,
"volume": 81.53402015157627,
"volume_molar": 12.275233652036722,
"formula_full": "Li2 Sn1 Ge1",
"formula_reduced": "Li2SnGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6076619125,
"spacegroup": 216
},
{
"id": "jvasp-16755",
"created_at": "2022-09-04T14:38:29.866989Z",
"updated_at": "2022-09-04T14:38:29.866999Z",
"structure_string": "Li2 Zn1 Ge1\n1.0\n3.771949 -0.000000 2.177736\n1.257317 3.556227 2.177736\n0.000000 0.000000 4.355471\nLi Zn Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750001 0.750001 0.750001 Zn\n0.500001 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Ge"
],
"chemical_system": "Ge-Li-Zn",
"density": 4.318223140554724,
"density_atomic": 0.06846515219276267,
"volume": 58.423882396960956,
"volume_molar": 8.795921088504628,
"formula_full": "Li2 Zn1 Ge1",
"formula_reduced": "Li2ZnGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.151435,
"spacegroup": 216
},
{
"id": "jvasp-57730",
"created_at": "2022-09-04T14:38:29.765784Z",
"updated_at": "2022-09-04T14:38:29.765816Z",
"structure_string": "Ta4 Ga1 Se8\n1.0\n6.418852 -0.000000 3.705926\n2.139618 6.051752 3.705926\n0.000000 0.000000 7.411853\nTa Ga Se\n4 1 8\ndirect\n0.602282 0.602281 0.602282 Ta\n0.602282 0.193156 0.602282 Ta\n0.193156 0.602281 0.602282 Ta\n0.602282 0.602281 0.193157 Ta\n0.000000 0.000000 0.000000 Ga\n0.864504 0.406488 0.864505 Se\n0.364037 0.364037 0.364037 Se\n0.364037 0.364037 0.907891 Se\n0.907891 0.364037 0.364037 Se\n0.864504 0.864504 0.406489 Se\n0.864504 0.864504 0.864505 Se\n0.406488 0.864504 0.864505 Se\n0.364037 0.907890 0.364037 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ta",
"Ga",
"Se"
],
"chemical_system": "Ga-Se-Ta",
"density": 8.219737705764762,
"density_atomic": 0.04515211210533668,
"volume": 287.915656518391,
"volume_molar": 13.337450850473557,
"formula_full": "Ta4 Ga1 Se8",
"formula_reduced": "Ta4GaSe8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.4905304660256413,
"spacegroup": 216
},
{
"id": "jvasp-16415",
"created_at": "2022-09-04T14:38:32.382617Z",
"updated_at": "2022-09-04T14:38:32.382634Z",
"structure_string": "Nd1 Mg1 Ni4\n1.0\n4.333488 0.000000 2.501941\n1.444496 4.085653 2.501941\n0.000000 -0.000000 5.003882\nNd Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.623451 0.623450 0.623450 Ni\n0.623451 0.129648 0.623450 Ni\n0.623451 0.623450 0.129648 Ni\n0.129649 0.623450 0.623450 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ni"
],
"chemical_system": "Mg-Nd-Ni",
"density": 7.559505117725998,
"density_atomic": 0.0677243918271746,
"volume": 88.59437254617742,
"volume_molar": 8.892129700282668,
"formula_full": "Nd1 Mg1 Ni4",
"formula_reduced": "NdMgNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8503666916666667,
"spacegroup": 216
},
{
"id": "jvasp-24466",
"created_at": "2022-09-04T14:38:29.739415Z",
"updated_at": "2022-09-04T14:38:29.739439Z",
"structure_string": "In7 Ge1 Ir1 O8\n1.0\n6.291110 -0.000000 3.632174\n2.097037 5.931315 3.632174\n0.000000 0.000000 7.264348\nIn Ge Ir O\n7 1 1 8\ndirect\n0.749856 0.749857 0.250143 In\n0.250144 0.250144 0.749856 In\n0.250144 0.749857 0.250143 In\n0.749856 0.250144 0.250143 In\n0.749856 0.250144 0.749856 In\n0.250144 0.749857 0.749856 In\n0.750000 0.750001 0.749999 In\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ir\n0.945632 0.351456 0.351455 O\n0.629820 0.629820 0.629819 O\n0.351456 0.351456 0.945632 O\n0.110541 0.629820 0.629819 O\n0.351456 0.351456 0.351455 O\n0.629820 0.629820 0.110540 O\n0.351456 0.945633 0.351455 O\n0.629820 0.110541 0.629820 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"In",
"Ge",
"Ir",
"O"
],
"chemical_system": "Ge-In-Ir-O",
"density": 7.330190726017536,
"density_atomic": 0.06271537340431631,
"volume": 271.0659137816757,
"volume_molar": 9.602335811948677,
"formula_full": "In7 Ge1 Ir1 O8",
"formula_reduced": "In7GeIrO8",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 1.4832426376470589,
"spacegroup": 216
},
{
"id": "jvasp-27401",
"created_at": "2022-09-04T14:38:29.639653Z",
"updated_at": "2022-09-04T14:38:29.639680Z",
"structure_string": "Nb1 Sb1 Ru1\n1.0\n3.799729 -0.000000 2.193775\n1.266576 3.582419 2.193775\n-0.000000 -0.000000 4.387550\nNb Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Sb\n0.250000 0.250000 0.249999 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Sb",
"Ru"
],
"chemical_system": "Nb-Ru-Sb",
"density": 8.77854704898418,
"density_atomic": 0.050230809020678495,
"volume": 59.72430184759698,
"volume_molar": 11.98893841729857,
"formula_full": "Nb1 Sb1 Ru1",
"formula_reduced": "NbSbRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3098220000000005,
"spacegroup": 216
},
{
"id": "jvasp-12817",
"created_at": "2022-09-04T14:38:29.526568Z",
"updated_at": "2022-09-04T14:38:29.526580Z",
"structure_string": "Al4 Cu2 O7\n1.0\n5.191044 0.000000 2.997050\n1.730348 4.894163 2.997050\n0.000000 0.000000 5.994101\nAl Cu O\n4 2 7\ndirect\n0.620112 0.139660 0.620113 Al\n0.139661 0.620112 0.620113 Al\n0.620113 0.620112 0.139661 Al\n0.620113 0.620112 0.620113 Al\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 O\n0.740205 0.259795 0.740205 O\n0.259795 0.740205 0.259795 O\n0.259795 0.740205 0.740205 O\n0.740205 0.740205 0.259795 O\n0.259795 0.259795 0.740205 O\n0.740205 0.259795 0.259795 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 3.783892946163411,
"density_atomic": 0.08536624063661713,
"volume": 152.28502395153805,
"volume_molar": 7.05447576827795,
"formula_full": "Al4 Cu2 O7",
"formula_reduced": "Al4Cu2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.980090507692308,
"spacegroup": 216
},
{
"id": "jvasp-118834",
"created_at": "2022-09-04T14:38:29.494826Z",
"updated_at": "2022-09-04T14:38:29.494837Z",
"structure_string": "Ca1 As1 H1\n1.0\n-0.000000 3.232938 3.232938\n3.232938 -0.000000 3.232938\n3.232938 3.232938 -0.000000\nCa As H\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 As\n0.500000 0.500000 0.500000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"As",
"H"
],
"chemical_system": "As-Ca-H",
"density": 2.850448450708401,
"density_atomic": 0.0443914295705832,
"volume": 67.58061249705743,
"volume_molar": 13.565998703476497,
"formula_full": "Ca1 As1 H1",
"formula_reduced": "CaAsH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3373507233333335,
"spacegroup": 216
},
{
"id": "jvasp-118864",
"created_at": "2022-09-04T14:38:29.761103Z",
"updated_at": "2022-09-04T14:38:29.761130Z",
"structure_string": "As1 S1 I1\n1.0\n-0.000000 3.438349 3.438349\n3.438349 -0.000000 3.438349\n3.438349 3.438349 -0.000000\nAs S I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 S\n0.500000 0.500000 0.500000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"S",
"I"
],
"chemical_system": "As-I-S",
"density": 4.777303945362055,
"density_atomic": 0.03690127650732771,
"volume": 81.29800060993206,
"volume_molar": 16.31960010598589,
"formula_full": "As1 S1 I1",
"formula_reduced": "AsSI",
"formula_anonymous": "ABC",
"energy_above_hull": 1.433972675,
"spacegroup": 216
}
]
}